Version2.1 2020-12-27T09:41:23Z 10.1021/jm300687e Gaussian16 RevisionB.01 PWARBURT 22-Nov-2020 #N HF/6-31G(d) OPT=(MaxStep=1) FREQ IOp(6/10=2,6/11=2,6/12=2) DUDE c1ccc(cc1)c2ccc(o2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NC5CCCCCC5 C39633767 RHF 6-31G(d) (6D,7F) c1ccc(cc1)c2ccc(o2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NC5CCCCCC5 C01[X(C27H36N3O3)] 201 C1 567 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1)NC1CCCCCC1 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1)NC1CCCCCC1 O=C(NC1CCCCCC1)[C@@H]2CN(CC23CC[NH2+]CC3)C(=O)c4oc(cc4)c5ccccc5 InChIKey=RGILPJLWJUKHAP-QFIPXVFZSA-O InChI=1S/C27H35N3O3/c31-25(29-21-10-6-1-2-7-11-21)22-18-30(19-27(22)14-16-28-17-15-27)26(32)24-13-12-23(33-24)20-8-4-3-5-9-20/h3-5,8-9,12-13,21-22,28H,1-2,6-7,10-11,14-19H2,(H,29,31)/p+1/t22-/m0/s1 InChI=1/C27H35N3O3/c31-25(29-21-10-6-1-2-7-11-21)22-18-30(19-27(22)14-16-28-17-15-27)26(32)24-13-12-23(33-24)20-8-4-3-5-9-20/h3-5,8-9,12-13,21-22,28H,1-2,6-7,10-11,14-19H2,(H,29,31)/p+1/t22-/m0/s1/fC27H36N3O3/h28-29H/q+1 c1ccc(cc1)c2ccc(o2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NC5CCCCCC5 C01[X(C27H36N3O3)] 201 C01 567 O=C([C@@H]1CN(CC21CC[NH2+]CC2)C(=O)c1ccc(o1)c1ccccc1)NC1CCCCCC1 O=C(C1=[CH][CH]=C(O1)[C]1[CH][CH][CH][CH][CH]1)N1C[C@H](C2(C1)CC[NH2]CC2)[C]([NH]C1CCCCCC1)=O O=C(NC1CCCCCC1)[C@@H]2CN(CC23CC[NH2]CC3)C(=O)c4oc(cc4)[C]5[CH][CH][CH][CH][CH]5 InChIKey=DPFGYAXACGUHDM-QFIPXVFZSA-N InChI=1S/C27H36N3O3/c31-25(29-21-10-6-1-2-7-11-21)22-18-30(19-27(22)14-16-28-17-15-27)26(32)24-13-12-23(33-24)20-8-4-3-5-9-20/h3-5,8-9,12-13,21-22H,1-2,6-7,10-11,14-19,28H2,(H,29,31)/t22-/m0/s1 InChI=1/C27H36N3O3/c31-25(29-21-10-6-1-2-7-11-21)22-18-30(19-27(22)14-16-28-17-15-27)26(32)24-13-12-23(33-24)20-8-4-3-5-9-20/h3-5,8-9,12-13,21-22H,1-2,6-7,10-11,14-19,28H2,(H,29,31)/t22-/m0/s1/f/h29H 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2.1286 2.7128 1.7359 2.1972 2.1437 2.0308 1.4354 2.2560 1.8210 1.6872 1.1534 1.5547 2.6913 1.4991 1.9563 1.5005 1.6967 1.2925 1.5778 1.9377 1.6027 2.3264 1.1881 1.5696 1.2032 1.9152 1.1404 1.2049 1.2653 1.2949 1.4599 1.3542 1.2321 1.4452 1.4259 1.3638 2.7066 1.4327 1.4897 1.4119 1.3776 1.4622 1.4739 1.4024 1.3680 1.5503 1.6220 2.7502 1.3863 2.2674 1.0997 1.0898 1.0776 1.0983 1.0892 1.1058 1.0902 2.4214 1.0871 1.1030 1.0981 1.0940 1.1084 4.4133 2.1260 5.2419 5.9914 5.5711 1.0768 11.3847 8.3097 1.0699 1.0722 1.0636 1.0750 1.0689 1.0648 1.0749 1.0725 1.0916 1.0979 1.1012 1.0867 1.0957 1.1019 1.0950 1.0694 1.0661 1.0614 1.0885 1.0646 1.0909 1.0923 1.1116 1.1053 1.1091 1.0872 1.0983 1.0902 1.0938 1.0963 1.0974 1.0962 1.1023 1.0559 1.0960 1.0786 0.0002 0.0008 0.0009 0.0020 0.0044 0.0045 0.0085 0.0138 0.0156 0.0150 0.0381 0.0335 0.0341 0.0294 0.0393 0.0631 0.0687 0.1377 0.1185 0.1080 0.0920 0.1337 0.1881 0.1639 0.1805 0.2072 0.3098 0.2267 0.2417 0.2080 0.3780 0.3240 0.3836 0.3625 0.5567 0.2922 0.3425 0.3341 0.4164 0.2921 0.3964 0.3591 0.5853 0.4600 0.6168 1.1841 1.7272 0.8183 1.1519 2.0861 1.5004 1.1774 0.6521 0.8530 0.7711 1.0280 1.7329 2.1199 1.6481 0.7248 0.8112 1.5052 1.2892 0.8604 0.7148 0.7760 0.9561 1.2936 0.6749 1.6108 2.8092 1.2460 3.2385 1.4528 0.8973 1.3685 1.3781 0.9190 1.7532 1.5006 1.4204 3.9005 1.5771 1.0214 1.8455 1.2351 1.2434 1.5430 1.7393 1.0315 1.6084 1.1284 1.7905 1.8764 1.7204 2.2372 1.4482 1.9142 1.8837 1.7860 1.2853 2.0519 1.7636 1.6738 1.1580 1.5841 2.7651 1.5469 2.0435 1.5789 1.7955 1.3939 1.7104 2.1302 1.8085 2.6410 1.3564 1.7990 1.4423 2.3193 1.3868 1.4869 1.5661 1.6192 1.8613 1.7303 1.6010 1.9174 1.9082 1.8285 3.7064 1.9755 2.0677 1.9662 1.9302 2.0499 2.0846 1.9905 1.9521 2.2333 2.3522 4.0020 2.0456 3.4941 1.7244 1.7107 1.6967 1.7389 1.7302 1.7593 1.7398 3.8898 1.7515 1.7800 1.7855 1.7885 1.8253 7.5698 3.6803 9.7613 11.4310 10.8191 2.1185 23.7028 17.9840 6.3267 6.4241 6.3952 6.4687 6.4391 6.4314 6.5004 6.5031 6.6831 6.7330 6.7965 6.7144 6.7937 6.8578 6.8256 6.7502 6.7449 6.7328 6.9141 6.7807 7.0414 7.1295 7.3041 7.2684 7.3509 7.2590 7.3535 7.3131 7.3830 7.4433 7.4784 7.7063 7.8130 8.3785 9.0016 9.5257 0.8142 2.0939 0.9519 1.7565 4.8839 2.3875 3.8303 6.2246 8.4547 2.8039 0.2633 0.7360 2.7518 1.2887 9.0429 5.0149 1.1086 5.8484 9.5662 4.3463 1.1226 3.6494 11.6644 5.0803 0.9630 3.9788 2.7684 1.5195 12.5737 0.1265 1.4824 2.6362 6.0721 0.4150 6.9282 4.7065 11.9110 5.1583 14.9232 52.6613 15.8753 2.7320 1.7334 4.7996 5.0240 7.0244 0.4190 12.8313 4.9404 5.5140 1.0183 12.6857 47.4941 12.1402 1.4988 6.8891 5.9550 33.3652 3.8133 69.6224 4.7778 1.5150 1.1223 6.5674 30.3738 16.2503 3.8092 6.6499 0.6505 6.8546 16.5533 3.7187 17.1405 4.0874 3.0213 1.3994 17.2644 2.1844 0.4054 37.9955 15.3174 2.9026 1.4699 1.5411 4.9269 50.4802 0.3828 28.2093 11.0796 1.3219 5.9068 1.3262 15.0427 10.9027 21.2285 18.1164 0.6019 20.2485 8.9870 2.3341 0.3545 3.0732 50.1806 35.9642 2.9267 18.8923 2.3025 2.5235 15.0698 81.1033 35.0807 5.3533 18.4377 19.2010 61.2423 32.7774 0.3130 6.0088 5.7272 75.2017 14.3698 39.6782 7.9585 67.9528 0.4571 54.7435 1.0114 8.6959 43.3488 3.8270 0.1368 6.7380 31.5644 0.4040 1.5365 3.7515 5.4616 11.8279 23.7470 53.5110 40.9241 465.0161 51.9189 43.1831 9.3358 0.5898 0.2260 5.8787 11.1167 5.6600 11.4797 201.0354 13.8894 5.5375 0.7067 2.4774 59.1301 173.5104 533.0752 39.0927 53.5959 13.4065 99.6526 465.8876 244.3189 22.0835 7.0214 18.9275 1.6554 22.0149 34.4327 37.7114 18.4878 61.4249 10.0441 62.8255 27.5204 92.0150 67.4410 52.2933 14.4045 16.6847 8.7835 29.0685 5.7515 5.2813 3.3609 7.0716 10.5641 4.0103 2.3797 7.8638 2.1405 20.3408 27.1114 7.8807 3.7084 0.4025 76.1510 73.8725 30.8421 1.3195 3.2178 2.3720 8.3808 1.7912 0.4206 0.5406 0.4984 0.7321 0.1309 1.5358 1.9812 1.1070 1.2346 0.2428 2.0565 0.6717 1.7439 0.7438 0.5945 0.2120 1.1370 0.9058 0.4113 1.5304 0.4130 3.3483 0.3820 0.1900 0.4847 0.4627 0.2705 1.0471 0.8776 1.4847 1.9165 2.6533 1.8504 0.6964 0.4414 0.1812 0.9138 0.5058 2.2669 1.5033 1.7368 5.8919 9.3993 3.0694 2.8325 1.0991 2.0158 5.1627 14.3818 5.5177 3.4921 3.6506 7.1847 1.8437 0.7288 2.3326 4.5489 0.4167 1.9974 2.4677 1.9337 2.7624 0.6993 3.8127 4.7012 7.8987 1.3610 21.0480 4.7350 11.0506 1.6925 5.5039 4.4332 3.6725 2.9294 9.4753 66.4397 11.7692 3.4667 10.9067 168.1274 5.0060 11.6340 4.7974 4.2522 6.0267 2.6223 2.9793 3.4028 5.1496 19.0670 0.8015 4.7977 25.8260 7.8298 4.5427 5.4427 12.5156 15.0228 21.3458 2.4038 9.7677 3.2330 4.4029 2.5467 2.0105 6.1969 3.3912 25.4096 21.7557 51.4791 3.7442 13.2805 5.4384 19.2729 18.8262 9.9288 9.8740 14.2936 6.4074 3.6403 5.8192 0.8739 4.2606 1.0797 10.6158 0.6583 4.9069 4.4601 0.8695 2.7596 1.2508 5.5107 1.5442 1.7053 7.6756 5.6476 0.8271 77.3048 17.5733 21.2647 18.8147 3.4410 17.5105 13.4492 9.4980 409.1824 2.7957 10.6174 3.4872 9.9011 9.4466 1169.3225 93.3570 68.8683 119.1141 575.5643 5.8478 115.8896 6.9433 36.9881 15.0958 10.0520 5.6884 90.1191 36.7995 100.2392 181.6726 67.0743 54.2793 29.6354 42.4830 122.7058 134.0030 121.5316 19.1146 80.3870 109.7890 32.9784 106.3934 67.8630 57.1387 54.3310 40.0182 29.0489 25.3825 51.3362 106.3640 69.8565 88.8921 208.3603 72.4766 100.8644 79.3372 59.1224 27.3911 0.7414 0.7467 0.7498 0.7032 0.6675 0.6580 0.7479 0.6414 0.7478 0.6947 0.7228 0.7496 0.7500 0.7360 0.7255 0.3320 0.2671 0.4671 0.5253 0.6343 0.4980 0.4701 0.7382 0.2347 0.0419 0.7498 0.6963 0.5382 0.7310 0.7428 0.6418 0.4601 0.5131 0.4978 0.5295 0.6684 0.5141 0.2331 0.4885 0.6864 0.7463 0.7461 0.7427 0.1687 0.0237 0.3981 0.7446 0.2169 0.1347 0.6008 0.6591 0.4414 0.7117 0.0430 0.0976 0.4495 0.3052 0.1153 0.4786 0.5712 0.5973 0.0697 0.4655 0.7472 0.6913 0.2425 0.1615 0.7374 0.5383 0.2207 0.3779 0.3768 0.1349 0.2878 0.6300 0.7455 0.6967 0.7478 0.7349 0.5151 0.7499 0.1752 0.3792 0.5776 0.1600 0.3188 0.7329 0.5844 0.6833 0.5913 0.6799 0.0734 0.5587 0.4940 0.2995 0.6099 0.6647 0.6284 0.7500 0.6493 0.7495 0.7500 0.5264 0.4592 0.1691 0.4631 0.5611 0.1293 0.3716 0.6695 0.5187 0.4943 0.3377 0.5461 0.7418 0.7481 0.7163 0.7497 0.7204 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3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 6 6 6 6 6 6 6 6 6 6 8 6 8 7 6 6 1 6 6 6 6 7 1 1 6 6 6 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 15.99491 12.00000 15.99491 14.00307 12.00000 12.00000 1.00783 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 12.00000 15.99491 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15797.5487 20260.3383 34174.6934 0.99913 -0.04162 0.00032 0.04162 0.99913 -0.00265 -0.00021 0.00266 1.00000 1 0.00548 0.00428 0.00253 0.11424 0.08908 0.05281 10.91 23.95 31.00 42.58 54.95 61.56 83.27 97.61 106.20 115.99 160.69 180.09 181.79 198.48 216.58 246.29 261.82 292.11 298.93 328.55 377.39 414.86 426.84 442.80 451.89 460.28 484.54 506.57 525.59 561.10 575.64 596.68 605.62 648.44 653.97 669.81 682.54 701.73 721.16 759.49 769.97 802.68 815.03 830.25 868.49 942.87 974.23 983.05 1004.43 1075.81 1095.31 1101.63 1109.80 1141.89 1173.75 1187.38 1208.37 1214.30 1228.73 1242.54 1258.26 1267.38 1301.35 1308.05 1331.53 1345.33 1365.13 1374.17 1376.64 1405.78 1432.67 1441.66 1462.86 1470.68 1487.39 1510.09 1512.29 1513.28 1546.73 1549.66 1561.12 1567.44 1570.87 1590.22 1594.72 1607.05 1608.38 1625.65 1629.96 1632.54 1638.44 1640.05 1655.46 1673.35 1685.13 1702.22 1712.05 1749.54 1757.05 1757.82 1773.74 1787.61 1844.61 1866.94 1878.14 1892.12 1899.95 1904.06 1915.75 1922.79 1928.20 1946.61 1951.62 1965.34 1991.12 1997.13 2002.76 2006.76 2052.18 2062.73 2066.97 2082.28 2085.35 2096.06 2116.46 2118.78 2136.67 2159.05 2168.36 2170.41 2193.47 2201.04 2208.33 2212.00 2218.69 2219.38 2229.19 2233.16 2239.06 2249.74 2257.21 2261.12 2276.95 2326.89 2347.17 2348.40 2351.99 2358.50 2362.42 2364.36 2367.84 2375.74 2379.28 2381.21 2390.19 2396.66 2405.40 2454.86 2466.22 2557.87 2589.08 2612.12 2629.10 2704.63 2757.52 4558.09 4588.23 4596.31 4598.02 4600.58 4606.62 4609.47 4615.57 4637.90 4641.80 4656.73 4659.29 4667.42 4676.21 4679.82 4709.20 4714.64 4720.92 4724.12 4730.60 4762.26 4788.80 4804.90 4806.66 4825.67 4843.33 4850.13 4854.71 4869.94 4884.23 4893.26 4969.81 4990.29 5280.09 5371.78 5570.42 0.651296 0.679155 0.680099 0.588234 -1430.517744 -1430.489885 -1430.488941 -1430.580805 3.081134D-04 MUNgauss RevisionA2.0 retrievium 27-Dec-2020 DUDE c1ccc(cc1)c2ccc(o2)C(=O)N3C[C@H](C4(C3)CC[NH2+]CC4)C(=O)NC5CCCCCC5 C39633767 RHF 6-31G(d) (6D,10F) C1 450.275667 |X|Y|Z| 91.362239 103.443472 26.851811 63.311286 31 6 7 8 27 3 1 |36.858105| |13.749999|36.858105| |7.934485|13.767249|36.858105| |6.846816|7.915083|13.685221|36.858105| |7.939096|6.879411|7.930083|13.678332|36.858105| |13.739871|7.943380|6.874147|7.912261|13.780393|36.858105| |4.482336|5.074892|7.666604|12.978764|7.683918|5.080214|36.858105| |3.622555|3.835233|5.047648|7.368431|6.115836|4.245611|14.067801|36.858105| |2.952734|3.200609|4.113009|5.178700|4.281987|3.278592|8.571585|13.372900|36.858105| |3.033065|3.445230|4.589753|5.360224|4.102121|3.224637|8.745864|8.594952|14.150244|36.858105| |3.797714|4.537189|6.747749|7.934736|5.217159|3.973892|14.205289|8.633669|8.617237|14.063893|73.516695| |2.553850|2.909225|3.675776|3.932798|3.161406|2.634008|5.329798|5.203201|7.498506|12.983534|13.783854|36.858105| |2.231358|2.483433|3.026945|3.255445|2.738334|2.316895|4.245792|4.468590|6.524767|8.218744|9.587162|15.760185|73.516695| |2.543742|2.966760|3.702341|3.703520|2.961166|2.543049|4.599497|4.139359|5.123778|7.823419|11.992151|13.928875|15.026642|53.358707| |2.774465|3.285580|4.089739|3.953307|3.140565|2.729981|4.625525|3.916806|4.429139|6.313336|11.840557|7.590332|9.567148|17.739303|36.858105| |2.323555|2.671979|3.125989|3.021922|2.541573|2.279367|3.385660|3.028931|3.401837|4.352442|7.701668|5.354849|7.907913|10.774895|12.154336|36.858105| |2.281393|2.574282|2.970918|2.927831|2.515730|2.261274|3.251546|2.946974|3.266862|4.021255|7.118033|4.667170|7.097032|8.196016|8.706032|17.567569|0.500000| |2.040662|2.307921|2.684328|2.655154|2.267552|2.027114|3.047974|2.858225|3.350428|4.197355|6.814985|5.738196|9.364409|11.054427|7.709056|12.220403|0.242501|36.858105| |2.158661|2.477295|2.946059|2.901485|2.420327|2.140138|3.415288|3.190014|3.844550|5.062508|7.947700|7.865764|12.477371|17.933790|8.083294|7.979732|0.161033|12.377754|36.858105| |1.947403|2.152206|2.496662|2.562514|2.234138|1.977405|2.999233|2.930980|3.524375|4.215412|6.492862|5.632753|9.998850|8.727542|5.945637|7.578866|0.209300|12.323584|7.482954|36.858105| |1.733678|1.894001|2.170790|2.241663|1.986946|1.768395|2.616436|2.638591|3.200630|3.634672|5.480344|4.798114|9.704951|6.736479|4.245345|4.885180|0.131381|7.438062|6.088054|12.525113|36.858105| |1.577565|1.722638|1.939153|1.964517|1.755922|1.590560|2.227518|2.214893|2.591490|2.916650|4.596640|3.683141|7.147310|5.431009|3.585760|4.337832|0.115508|6.456490|5.161381|7.704413|12.620471|53.358707| |1.479632|1.605916|1.797727|1.827482|1.646456|1.495535|2.066771|2.078697|2.426728|2.673608|4.201629|3.313891|6.596595|4.720932|3.081804|3.557943|0.094927|4.926823|4.347222|5.685174|9.160453|25.689794|0.500000| |1.531548|1.663513|1.857054|1.880031|1.694549|1.543854|2.107809|2.089423|2.405454|2.681219|4.300555|3.272574|6.174116|4.834485|3.357655|4.172713|0.116318|5.732406|4.363273|7.014857|9.201437|25.685651|0.328504|0.500000| |1.616742|1.788027|2.009175|1.992275|1.761979|1.607394|2.231955|2.169862|2.504276|2.888084|4.669179|3.678590|6.854099|5.808426|3.842950|4.808661|0.119541|7.504762|6.088174|6.530563|7.549424|17.192093|0.254617|0.255819|36.858105| |1.787147|2.001329|2.260497|2.209824|1.929897|1.761325|2.458973|2.327714|2.655146|3.159367|5.254867|4.020012|6.961465|6.937170|4.963766|7.264714|0.169111|12.389184|7.425903|7.645686|6.457393|10.402167|0.157179|0.193701|12.494520|36.858105| |2.262043|2.627019|2.971015|2.751802|2.339498|2.160514|2.931371|2.588843|2.796576|3.452500|6.413234|4.003307|6.114129|7.524414|7.557625|12.476688|0.246699|7.360605|5.909694|4.949502|3.735784|4.946211|0.085476|0.098759|4.290466|6.467918|36.858105| |2.161326|2.523420|2.832415|2.589350|2.201501|2.047183|2.746078|2.437921|2.636132|3.234591|5.971716|3.795622|5.914748|7.099910|6.164842|7.996214|0.163816|6.495322|6.021573|4.314040|3.503503|4.795780|0.084467|0.093522|4.404455|6.401551|15.782747|73.516695| |2.256855|2.591222|2.844457|2.620940|2.276128|2.140328|2.705177|2.385991|2.507366|2.995654|5.687137|3.287780|5.096165|5.690354|5.653962|7.843663|0.212265|5.157471|4.227269|4.048414|3.146903|4.201799|0.073975|0.086700|3.480816|4.824682|14.216072|15.086479|53.358707| |2.147529|2.455578|2.602400|2.353828|2.078450|2.001650|2.362018|2.088965|2.155080|2.513464|4.816930|2.696910|4.261784|4.486898|4.121405|4.978547|0.133665|3.818549|3.358302|3.118831|2.577838|3.527632|0.063740|0.072884|2.937838|3.813618|7.703206|11.988489|17.669710|36.858105| |1.949129|2.169398|2.260935|2.087181|1.888978|1.834800|2.085766|1.876780|1.925997|2.191757|4.146161|2.322621|3.742975|3.718175|3.312552|3.980186|0.114841|3.219479|2.781686|2.796659|2.353443|3.252858|0.059264|0.068788|2.629525|3.288196|5.221845|8.112100|10.725976|12.440618|36.858105| |1.808829|1.992723|2.030542|1.865957|1.712659|1.689955|1.839118|1.664145|1.690751|1.894296|3.587848|1.983544|3.232695|3.106339|2.670403|3.048831|0.086315|2.591265|2.322579|2.291709|1.992678|2.774257|0.051492|0.058427|2.234352|2.676469|3.813397|6.381420|6.756473|7.313082|12.420273|36.858105| |1.938122|2.130805|2.121585|1.923347|1.778569|1.784153|1.854995|1.664061|1.662952|1.851746|3.568143|1.898761|3.074723|2.938522|2.529956|2.750865|0.077522|2.324081|2.142775|2.075571|1.811295|2.478466|0.046344|0.051681|1.975161|2.329266|3.342510|5.631987|5.733291|5.838891|7.400858|12.410987|36.858105| |2.060732|2.302108|2.266733|2.009361|1.843312|1.862443|1.917011|1.702869|1.692732|1.893959|3.692485|1.934900|3.116266|3.007336|2.570345|2.710861|0.074081|2.298169|2.182473|2.018906|1.771270|2.414752|0.045328|0.049665|1.946528|2.286376|3.340125|5.860288|5.460929|5.592030|5.608305|7.314030|12.392412|36.858105| |2.204912|2.532283|2.544760|2.220142|1.989898|1.984300|2.135496|1.875709|1.879679|2.142908|4.204176|2.216310|3.530197|3.532416|3.052756|3.215425|0.084973|2.679631|2.575152|2.276077|1.977148|2.692409|0.050196|0.054797|2.214401|2.654440|4.195258|7.629887|6.754140|7.424654|5.892242|6.300241|7.287869|12.402208|36.858105| |2.435536|2.843879|2.944846|2.564582|2.253427|2.207628|2.491033|2.156070|2.173202|2.529941|5.021543|2.629413|4.100741|4.311389|3.954999|4.227300|0.111341|3.281454|3.087137|2.729118|2.291604|3.071950|0.056373|0.062499|2.525181|3.143167|5.887528|9.920642|10.495289|12.406165|7.334277|6.075842|6.243972|7.301094|12.407258|36.858105| |17.724398|8.911930|5.644956|4.938940|5.647635|8.910422|3.577607|3.015900|2.531681|2.593470|5.582545|2.241636|3.531563|3.062585|2.448312|2.103808|0.057576|1.858347|1.949733|1.772805|1.589472|1.988761|0.038192|0.039554|1.499902|1.652029|2.078903|3.551211|2.854161|2.031300|1.864270|1.756105|1.902993|2.031692|2.140511|2.315918|0.500000| |8.914025|17.722391|8.936437|5.638511|4.955735|5.647151|4.128176|3.238708|2.820906|3.082859|6.998750|2.706607|4.137507|3.853007|3.152424|2.619299|0.069534|2.255873|2.416360|2.070264|1.825692|2.290050|0.043572|0.045189|1.766321|1.985193|2.657024|4.600923|3.595816|2.566323|2.249026|2.090640|2.266949|2.506212|2.774375|3.061902|0.214814|0.500000| |5.648172|8.929683|17.742653|8.905511|5.642297|4.954651|7.071594|4.748317|4.174368|4.997339|13.488670|4.141156|5.902689|5.922807|4.848697|3.556209|0.091011|3.016427|3.394411|2.719731|2.342687|2.853454|0.053680|0.055384|2.206446|2.513283|3.413128|5.858163|4.333844|2.887936|2.438439|2.168196|2.245250|2.424920|2.800564|3.294129|0.124214|0.215766|0.500000| |5.652515|4.956208|5.638048|8.887657|17.726933|8.948479|7.082639|6.701610|4.498932|4.037043|8.508767|3.091530|4.859120|3.838111|2.933490|2.411966|0.066972|2.189667|2.323013|2.204639|1.980541|2.365967|0.045472|0.046647|1.721863|1.865759|2.188864|3.652633|2.893037|1.931172|1.774455|1.608556|1.656860|1.699202|1.822043|2.055997|0.124326|0.107585|0.123966|0.500000| |8.907989|5.647012|4.953280|5.637494|8.940947|17.726015|4.133773|3.698592|2.917352|2.813021|5.902957|2.339970|3.727239|3.061861|2.395029|2.046753|0.056852|1.840587|1.925854|1.813855|1.638006|2.014199|0.038832|0.040052|1.486894|1.616446|1.943753|3.278023|2.637558|1.824446|1.695993|1.574904|1.664031|1.725219|1.813852|1.994490|0.214714|0.124116|0.107564|0.216364|0.500000| |3.549166|3.570296|4.415369|6.356160|6.229091|4.345693|8.779537|17.818139|8.512915|5.856590|10.457979|4.081629|6.574513|4.580038|3.222383|2.602306|0.071138|2.475815|2.715357|2.559624|2.349871|2.722157|0.052639|0.052752|1.948786|2.066894|2.268501|3.816867|2.888845|1.886736|1.717825|1.540012|1.547417|1.580542|1.720683|1.950456|0.083037|0.083665|0.111541|0.213860|0.109015|0.500000| |2.556890|2.721244|3.347950|4.054848|3.558646|2.830985|5.838162|8.478479|17.813728|8.843869|10.451352|6.549006|11.925664|6.125255|3.810343|3.099247|0.083356|3.176790|3.606885|3.457066|3.282111|3.579351|0.069377|0.067505|2.486704|2.565008|2.555937|4.312223|3.124718|1.984752|1.793776|1.582510|1.547122|1.566445|1.728072|1.976935|0.062118|0.067747|0.094255|0.105877|0.071755|0.194044|0.500000| |2.995478|3.497343|4.430120|4.490009|3.549216|3.012944|5.383746|4.483656|4.976524|7.033752|13.757945|7.219945|9.139950|12.319416|17.675512|8.656412|0.227343|6.009739|5.920271|5.503848|3.965714|4.461702|0.079210|0.086874|3.347345|4.132293|5.817107|8.387059|6.782899|3.728549|3.137339|2.548198|2.450463|2.456756|2.834321|3.636578|0.072502|0.090560|0.139569|0.092682|0.073096|0.100876|0.115671|0.500000| |3.029889|3.729258|4.668733|4.198296|3.264154|2.888971|4.626706|3.741348|4.005765|5.514269|11.620117|6.008365|7.921586|12.339293|17.625808|8.664210|0.182905|5.863517|6.492117|4.521457|3.488290|4.203483|0.075262|0.080845|3.394189|4.315543|7.645604|11.877883|7.999722|4.490364|3.452417|2.812729|2.717150|2.839270|3.476098|4.608691|0.074097|0.101588|0.163792|0.082342|0.069483|0.086378|0.094877|0.303216|0.500000| |2.142900|2.486755|2.918283|2.785315|2.323546|2.087933|3.169930|2.904577|3.364128|4.322140|7.239267|5.958694|9.450889|12.504707|6.991978|7.020073|0.140829|8.855161|17.599946|5.489466|4.728288|6.034150|0.106781|0.106687|5.644331|7.020440|6.322948|13.207135|5.961478|3.594015|2.887941|2.431385|2.241082|2.323011|2.804371|3.335532|0.054110|0.068612|0.094981|0.061206|0.052112|0.069494|0.087045|0.141250|0.181093|0.500000| |2.009550|2.272739|2.682221|2.691970|2.280078|2.012769|3.201072|3.105646|3.840300|4.832926|7.199617|7.652789|14.827242|12.503113|5.796670|5.646129|0.127036|8.546339|17.709074|6.864379|6.766290|7.593454|0.135789|0.124198|6.301846|6.347128|4.468097|8.202556|4.674174|2.839234|2.423437|2.067555|1.915862|1.948798|2.261472|2.634817|0.050596|0.061293|0.084249|0.061570|0.050719|0.074229|0.104052|0.131807|0.135668|0.301124|0.500000| |2.103298|2.319124|2.737922|2.880588|2.493277|2.164969|3.483369|3.450744|4.293275|5.203815|7.640688|7.011593|12.111344|9.794196|6.529472|6.970653|0.198515|8.706341|6.915829|17.619296|9.044797|7.647034|0.127386|0.143880|4.880796|5.517457|4.501036|6.935048|5.144786|2.935589|2.633854|2.176557|2.010556|1.965310|2.205241|2.651418|0.052658|0.061046|0.082238|0.068895|0.054944|0.082297|0.116526|0.182698|0.132508|0.139853|0.178651|0.500000| |1.875023|2.053438|2.343855|2.399337|2.126127|1.902430|2.741604|2.669641|3.103515|3.598323|5.766772|4.419700|7.697762|6.754909|5.123241|6.966795|0.225551|8.801252|5.479805|17.502129|8.901964|9.441175|0.144338|0.205728|5.753341|6.923983|4.825115|7.212181|5.720295|3.214669|2.978852|2.410243|2.155901|2.055796|2.284827|2.744774|0.047731|0.055033|0.070043|0.058384|0.048795|0.065766|0.084435|0.137946|0.112611|0.123365|0.138521|0.304264|0.500000| |1.757672|1.926112|2.223985|2.304215|2.029170|1.795646|2.727223|2.781626|3.457748|3.931084|5.746984|5.433171|12.124860|7.243442|4.198134|4.478677|0.115382|6.662295|6.670406|8.771892|17.657081|12.338380|0.224012|0.180672|6.822363|5.647738|3.502122|6.030411|3.969091|2.428478|2.188803|1.876710|1.725229|1.709612|1.918627|2.206361|0.044628|0.051472|0.066989|0.056219|0.046089|0.068491|0.100048|0.107543|0.097075|0.141076|0.239599|0.214860|0.173336|0.500000| |1.659835|1.790471|2.037783|2.131698|1.919321|1.708668|2.482262|2.551657|3.078510|3.357304|5.062001|4.182198|8.517441|5.576113|3.643449|4.068099|0.114785|5.434533|4.619612|8.773397|17.625898|12.366209|0.221670|0.226301|5.565131|4.880787|3.195874|5.282972|3.812593|2.330589|2.174923|1.859372|1.699290|1.650391|1.815915|2.087296|0.042379|0.047707|0.060169|0.053733|0.044301|0.064008|0.089588|0.098685|0.084543|0.104318|0.139985|0.213690|0.215827|0.301519|0.500000| |1.633129|1.812339|2.047146|2.029615|1.785578|1.623634|2.290336|2.236290|2.606262|3.013772|4.812052|3.919281|7.507351|6.108252|3.801961|4.424519|0.106998|6.737076|6.698419|5.731267|6.878760|12.429464|0.225398|0.181347|17.634599|8.750759|3.968237|7.520472|4.338289|2.734658|2.414277|2.082134|1.870334|1.871590|2.141745|2.420914|0.041999|0.049714|0.062795|0.048437|0.041633|0.055658|0.072222|0.091077|0.094463|0.176321|0.215025|0.127806|0.132913|0.203310|0.141929|0.500000| |1.497234|1.646818|1.825821|1.801693|1.609924|1.483428|1.987971|1.933150|2.192824|2.484628|4.085659|3.048083|5.641504|4.724534|3.229895|3.984470|0.101832|5.463507|4.619039|4.911165|5.563151|12.369508|0.222538|0.225659|17.624854|8.764755|3.790604|7.029653|4.359692|2.801549|2.558790|2.209565|1.935150|1.899185|2.141658|2.393667|0.038863|0.045455|0.055354|0.043701|0.038316|0.048754|0.060590|0.079500|0.081596|0.125745|0.131249|0.107816|0.129490|0.141267|0.126522|0.301470|0.500000| |1.725438|1.916012|2.137835|2.092782|1.850342|1.701109|2.297591|2.176263|2.442844|2.852313|4.818061|3.474811|5.982308|5.780010|4.427226|6.686788|0.175513|8.775176|5.444633|6.877524|5.679815|9.351006|0.143544|0.203654|8.885030|17.498548|6.251249|10.175393|6.974304|4.026910|3.621861|2.890614|2.455769|2.351686|2.684240|3.183213|0.044541|0.052857|0.065211|0.049803|0.043596|0.054164|0.065617|0.107144|0.108141|0.143480|0.132306|0.140305|0.204857|0.131193|0.128492|0.173023|0.215277|0.500000| |1.792491|2.024141|2.269843|2.177217|1.895259|1.745434|2.384979|2.228216|2.500848|2.981656|5.087974|3.714350|6.315760|6.522533|4.735838|6.561825|0.146682|8.780437|6.882007|5.527291|4.849746|7.603573|0.126938|0.143072|8.991509|17.642970|7.046701|14.544418|6.897323|4.174150|3.462809|2.843064|2.460354|2.455885|2.917933|3.424423|0.046204|0.056452|0.070840|0.050445|0.044392|0.055083|0.066499|0.107151|0.121747|0.213936|0.160255|0.122849|0.140998|0.126556|0.107396|0.213594|0.212458|0.303904|0.500000| |2.313956|2.624645|2.881181|2.699123|2.364389|2.216547|2.783988|2.460525|2.570295|3.042527|5.787066|3.270319|5.059250|5.492832|5.582706|7.533853|0.242888|4.874610|3.926559|4.117704|3.141962|4.102149|0.072226|0.085811|3.258285|4.380771|9.452477|10.878710|26.056789|8.995763|7.412670|4.692476|4.087052|3.740470|4.328678|6.412373|0.059580|0.073312|0.087817|0.061635|0.055889|0.060905|0.065277|0.147547|0.153736|0.108098|0.090103|0.109307|0.122910|0.079849|0.079158|0.082429|0.082990|0.132209|0.120739|0.500000| |1.989406|2.271361|2.411732|2.188069|1.932533|1.858369|2.215714|1.979421|2.061571|2.401015|4.528946|2.623134|4.203438|4.380915|3.839221|4.679803|0.120486|3.837475|3.416135|3.061494|2.588598|3.632580|0.065859|0.074626|3.121279|4.054113|7.389442|13.578370|12.671012|17.614100|8.892751|6.547548|5.061791|5.103456|7.008441|8.939068|0.052395|0.066102|0.074758|0.050077|0.047190|0.049749|0.053159|0.094082|0.115456|0.104674|0.080718|0.078578|0.086535|0.068135|0.064411|0.080860|0.083995|0.117699|0.129706|0.181857|0.500000| |1.802068|1.991267|2.094835|1.963945|1.781722|1.716857|1.993188|1.817686|1.888521|2.142556|3.972916|2.306270|3.766073|3.684268|3.217419|4.032733|0.118035|3.376066|2.827931|2.954209|2.497025|3.523040|0.063828|0.075716|2.853096|3.589080|5.160761|8.012389|9.905916|8.952165|17.526896|8.858437|5.464690|4.355469|4.593632|5.448070|0.047762|0.056779|0.062645|0.046924|0.044270|0.046255|0.049312|0.084225|0.090328|0.080883|0.068858|0.075656|0.089137|0.063628|0.064100|0.071304|0.078124|0.114361|0.104000|0.191733|0.220314|0.500000| |2.047060|2.261260|2.349761|2.183371|1.989046|1.934625|2.168732|1.946824|1.981832|2.243643|4.274489|2.339846|3.750134|3.698561|3.353329|3.948954|0.118987|3.127561|2.695154|2.798620|2.329892|3.156973|0.057522|0.066999|2.488592|3.081607|4.834497|7.207311|9.953581|8.861674|17.471422|8.906894|6.963828|5.108250|5.081726|6.543467|0.054342|0.064597|0.069521|0.051947|0.049744|0.049581|0.051097|0.091122|0.096139|0.076108|0.065381|0.074514|0.083759|0.059970|0.060474|0.063563|0.066549|0.094176|0.087521|0.226148|0.174576|0.303539|0.500000| |1.718644|1.899163|1.938815|1.778156|1.627535|1.604072|1.760397|1.598687|1.632285|1.829954|3.444626|1.933089|3.170602|3.035021|2.558896|2.921904|0.080788|2.546756|2.307695|2.225071|1.961065|2.767222|0.051598|0.058005|2.263859|2.692080|3.704163|6.493743|6.211459|6.726444|8.790921|17.514463|8.768861|6.945443|6.443485|5.633920|0.046382|0.055571|0.057875|0.042486|0.041524|0.041104|0.042587|0.066795|0.075119|0.068085|0.057326|0.058231|0.064353|0.051590|0.050564|0.058842|0.062881|0.080127|0.081095|0.114735|0.194376|0.208701|0.173655|0.500000| |1.680294|1.827130|1.859484|1.731183|1.604989|1.584166|1.712176|1.565203|1.591654|1.765566|3.312933|1.845914|3.036822|2.851951|2.421141|2.770273|0.079843|2.403091|2.137763|2.174834|1.909280|2.671376|0.049805|0.056829|2.121813|2.500552|3.323566|5.522832|5.716563|5.462661|8.981663|17.547070|8.889245|5.478816|4.657730|4.576815|0.045444|0.052806|0.054599|0.042189|0.041312|0.040461|0.041653|0.064948|0.069557|0.061413|0.053450|0.057322|0.064277|0.049675|0.049977|0.054607|0.058757|0.075998|0.072599|0.114761|0.139717|0.224572|0.213935|0.304970|0.500000| |1.791199|1.942424|1.918402|1.753104|1.639998|1.655052|1.688347|1.527966|1.523329|1.678093|3.213062|1.714537|2.801358|2.617776|2.213740|2.389199|0.067556|2.064990|1.913769|1.871643|1.655782|2.274081|0.042846|0.047533|1.798880|2.082996|2.821371|4.804050|4.662262|4.429483|5.521813|8.861359|17.549784|8.914983|5.464693|4.629764|0.049266|0.057279|0.055842|0.042654|0.043245|0.039757|0.039589|0.059956|0.065386|0.055364|0.048096|0.050434|0.054068|0.043874|0.043459|0.047411|0.049306|0.061027|0.060782|0.093468|0.112085|0.125354|0.148313|0.200716|0.228617|0.500000| |2.079147|2.276486|2.259098|2.051783|1.904459|1.914950|1.965286|1.754646|1.741656|1.936795|3.761534|1.964496|3.160911|3.026575|2.647492|2.850080|0.081824|2.363866|2.169549|2.135824|1.844877|2.491550|0.046457|0.052031|1.961115|2.319368|3.384992|5.526417|5.924329|5.654965|7.184415|8.896786|17.515685|8.812532|6.196312|6.179073|0.056650|0.066899|0.065829|0.049202|0.049589|0.045325|0.044817|0.072530|0.078786|0.062248|0.053736|0.058062|0.061938|0.048679|0.048296|0.051524|0.052883|0.068010|0.067024|0.123070|0.128238|0.146082|0.223381|0.174158|0.204636|0.305883|0.500000| |1.882623|2.086134|2.048909|1.827638|1.686511|1.707337|1.750031|1.568700|1.562953|1.736891|3.354670|1.780614|2.896435|2.746227|2.295482|2.420890|0.065804|2.106775|2.015544|1.858533|1.654832|2.276045|0.043025|0.046782|1.839126|2.127485|2.944126|5.291111|4.640056|4.568526|4.631497|6.245934|8.846221|17.535225|8.927117|5.460218|0.051853|0.063063|0.060716|0.043387|0.044193|0.040641|0.040426|0.060733|0.069838|0.059838|0.050526|0.050064|0.052430|0.044523|0.042912|0.049303|0.050316|0.060639|0.063787|0.087916|0.124052|0.106438|0.115281|0.184791|0.139019|0.227914|0.175804|0.500000| |2.207390|2.456569|2.367281|2.080260|1.923102|1.970299|1.951135|1.724024|1.692703|1.882387|3.710875|1.893008|3.038602|2.909009|2.486181|2.550942|0.070034|2.159666|2.074632|1.919735|1.686362|2.273978|0.042828|0.046636|1.813770|2.111277|3.047880|5.297966|4.893532|4.639691|4.592103|5.469867|8.906259|17.531945|8.848700|6.275781|0.061093|0.075159|0.069557|0.048949|0.050744|0.044636|0.043347|0.066982|0.076692|0.060893|0.051677|0.052536|0.054111|0.045410|0.043868|0.048733|0.048879|0.059902|0.062327|0.095682|0.115566|0.101928|0.124610|0.139892|0.124049|0.207034|0.226800|0.305218|0.500000| |2.001706|2.284700|2.323920|2.054281|1.841372|1.822049|2.007128|1.783286|1.808100|2.060794|3.973333|2.167780|3.490937|3.469364|2.931371|3.165465|0.082627|2.712688|2.601419|2.279093|2.001323|2.771891|0.051763|0.056396|2.316705|2.772433|4.204434|8.027216|6.528724|7.237555|5.737764|6.282928|6.237704|8.816714|17.522153|8.895329|0.053867|0.068821|0.071284|0.047205|0.046452|0.045459|0.046531|0.074407|0.091296|0.079806|0.063727|0.060480|0.063447|0.053953|0.050808|0.062177|0.062968|0.077892|0.086474|0.112797|0.225756|0.131400|0.129210|0.204377|0.129872|0.138083|0.141353|0.226277|0.175490|0.500000| |2.330916|2.708117|2.679896|2.293466|2.050982|2.064017|2.176443|1.898905|1.886355|2.146140|4.256925|2.195889|3.489167|3.471743|2.954837|2.990835|0.078073|2.526101|2.500098|2.152472|1.886312|2.550167|0.047853|0.051447|2.092869|2.470139|3.774585|7.029478|5.715764|5.542996|4.457306|4.658279|5.454760|8.920669|17.552466|8.875915|0.063200|0.084350|0.082337|0.051733|0.052201|0.048466|0.047990|0.076275|0.095160|0.076125|0.061386|0.058498|0.059260|0.051422|0.048158|0.057028|0.056007|0.068159|0.075390|0.103477|0.149572|0.101970|0.112258|0.132834|0.102912|0.124188|0.136877|0.208919|0.226882|0.306285|0.500000| |2.650568|3.081822|3.144437|2.729938|2.417325|2.388868|2.601898|2.233126|2.216410|2.560146|5.164572|2.595481|4.024329|4.171690|3.896472|4.029451|0.110427|3.086702|2.894923|2.651431|2.213883|2.921071|0.053711|0.059693|2.344474|2.880251|5.139769|8.170611|9.311590|8.794193|6.751465|5.636436|6.383183|6.943535|8.749224|17.498978|0.070112|0.091972|0.095775|0.060935|0.059865|0.056282|0.055682|0.103999|0.125058|0.084522|0.069136|0.072891|0.074698|0.059060|0.056664|0.062381|0.061430|0.081558|0.084559|0.180879|0.174211|0.138744|0.194761|0.135315|0.123320|0.131704|0.200195|0.139880|0.186130|0.174125|0.199569|0.500000| 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